| Reaction Details |
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 | Report a problem with these data |
| Target | Serine protease 1 |
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| Ligand | BDBM50113849 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_212197 (CHEMBL817760) |
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| Ki | 1200±n/a nM |
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| Citation |  Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 1. Models without explicit constrained water. J Med Chem45:2469-83 (2002) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Serine protease 1 |
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| Name: | Serine protease 1 |
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| Synonyms: | Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 26557.80 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07477 |
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| Residue: | 247 |
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| Sequence: | MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
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| BDBM50113849 |
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| n/a |
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| Name | BDBM50113849 |
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| Synonyms: | 3-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylamino)-propyl]-benzamidine |
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| Type | Small organic molecule |
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| Emp. Form. | C22H29N4O3S |
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| Mol. Mass. | 429.555 |
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| SMILES | Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)=[NH2+])C(=O)N1CCCCC1 |
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| Structure | 
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